| SpectraBase Spectrum ID |
8Ge2i8HiQrI |
| Name |
alpha-Ethyl-benzeneacetic acid |
| CAS Registry Number |
90-27-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) |
| InChIKey |
OFJWFSNDPCAWDK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
824 |
| Retention Index |
1191 |
| SMILES |
OC(C(C1=CC=CC=C1)CC)=O |
| SPLASH |
splash10-0006-9600000000-288990eeaf4acd9145e3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetic acid,alpha-Ethyl-benzene
2-phenylbutanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005298 |
